1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine

C22H28N2O2 — CID 119124673

IUPAC1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine
SMILESc1ccc(COc2ccccc2CNCC2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-6-18(7-3-1)17-26-22-9-5-4-8-19(22)14-23-15-21-16-24(12-13-25-21)20-10-11-20/h1-9,20-21,23H,10-17H2
InChIKeyWDEHXHPUUFXLJP-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.22
Rot. Bonds8

About 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine

1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine (PubChem CID 119124673) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine
PubChem CID119124673
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine
SMILESc1ccc(COc2ccccc2CNCC2CN(C3CC3)CCO2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-6-18(7-3-1)17-26-22-9-5-4-8-19(22)14-23-15-21-16-24(12-13-25-21)20-10-11-20/h1-9,20-21,23H,10-17H2
InChIKeyWDEHXHPUUFXLJP-UHFFFAOYSA-N
XLogP3.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxy-2-propoxyphenyl)methyl]methanamine
CID 119124588
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
CID 119124635
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
1-(4-cyclopropylmorpholin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]methanamine
CID 119124621
1-(4-cyclopropylmorpholin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 119124707
3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
CID 124545838

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine (CID 119124673) is 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine is c1ccc(COc2ccccc2CNCC2CN(C3CC3)CCO2)cc1.
What is the InChIKey of 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine?
The InChIKey is WDEHXHPUUFXLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-6-18(7-3-1)17-26-22-9-5-4-8-19(22)14-23-15-21-16-24(12-13-25-21)20-10-11-20/h1-9,20-21,23H,10-17H2.
What are the key properties of 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine?
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine has a molecular weight of 352.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 119124673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).